Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4060227
Preview
Coordinates | 4060227.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | fac-[1,2-dimethoxycarbonylvinylbis(diphenylphosphanyl)methanide tricarbonyl tertbutylisocyanide manganese(I)]hydrate |
---|---|
Formula | C39 H36.64 Mn N O7.32 P2 |
Calculated formula | C39 H36 Mn N O7.322 P2 |
Title of publication | Metal-Assisted Regio- and Stereospecific Insertion of Alkynes into a C-H Bond, Leading to Functionalized Diphosphane Ligands |
Authors of publication | Javier Ruiz; Roberto Quesada; Víctor Riera; Eduardo Castellano; Oscar Piro |
Journal of publication | Organometallics |
Year of publication | 2004 |
Journal volume | 23 |
Pages of publication | 175 - 177 |
a | 14.461 ± 0.001 Å |
b | 10.313 ± 0.001 Å |
c | 25.063 ± 0.001 Å |
α | 90° |
β | 90.902 ± 0.001° |
γ | 90° |
Cell volume | 3737.3 ± 0.5 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0504 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0918 |
Weighted residual factors for all reflections included in the refinement | 0.1059 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4060227.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.